SCHEMBL8846282

SCHEMBL8846282

COc1cc(COc2cccc(C(=O)O)c2-c2ccccc2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
CNR2 P34972 5/20 0.45
FAAH O00519 4/20 0.45
CNR1 P21554 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
RARA P10276 2/20 0.42
RARB P10826 2/20 0.42
RARG P13631 2/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
HSPD1 P10809 1/20 0.42
GOT1 P17174 1/20 0.42
GLRA1 P23415 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8846138 0.93 MRGPRX4 (0.47) S1PR1CNR2FAAHMEN1KMT2A
SCHEMBL8845999 0.86 KMT2A (0.43) S1PR1CNR2FAAHCNR1MEN1
SCHEMBL8846139 0.83 S1PR1 (0.45) S1PR1CNR2FAAHCNR1MEN1
SCHEMBL8846063 0.82 MRGPRX4 (0.45) S1PR1MEN1KMT2AMRGPRX4LMNA
SCHEMBL8845880 0.77 NPC1 (0.41) S1PR1MEN1KMT2AMRGPRX4SMN1; SMN2
SCHEMBL8845951 0.77 RXRA (0.47) MRGPRX4RARARARBRARGRXRA
SCHEMBL8394152 0.76 PTGER4 (0.46) S1PR1CNR2FAAHMEN1KMT2A
SCHEMBL8394232 0.76 KDM4E (0.52) CNR2FAAHMEN1KMT2ALMNA
SCHEMBL9160266 0.74 FABP4 (0.47) CNR2FAAHMEN1KMT2ALMNA
SCHEMBL8459851 0.74 RARB (0.50) S1PR1CNR2FAAHMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664282-B1 Biaryl phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-10-22 EP disclosed
EP-0664282-A1 Biaryl phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-26 EP disclosed
US-5391817-A Antiinflammatory agents BRISTOL-MYERS SQUIBB (US) 1995-02-21 US disclosed